#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2f0c h ILE 18 N 0.00 1.22 -0.97 2.28 2.04 -2.05 -2.03 117.51 118.00 2f0c h ILE 18 Ca 0.00 -0.48 0.00 0.00 1.00 0.00 0.00 64.86 65.38 2f0c h ILE 18 Cb 0.00 0.09 -0.05 0.00 -0.74 0.00 0.00 36.82 36.12 2f0c h ILE 18 CO 0.00 0.23 0.61 0.78 0.00 0.00 0.00 178.15 179.77 2f0c h ASN 19 N 1.10 1.14 -0.54 1.72 4.21 -2.05 -0.66 115.58 120.50 2f0c h ASN 19 Ca 0.29 -0.05 -0.07 0.00 1.21 0.00 0.00 56.30 57.68 2f0c h ASN 19 Cb -0.05 -0.29 -0.02 0.00 -1.12 0.00 0.00 38.32 36.83 2f0c h ASN 19 CO -0.06 0.86 0.09 0.44 -1.29 0.00 0.00 177.43 177.47 2f0c h ASP 20 N 1.33 0.89 -0.20 5.81 3.32 -1.86 0.30 116.42 126.00 2f0c h ASP 20 Ca 0.35 -0.20 0.00 0.00 0.02 0.00 0.00 57.03 57.21 2f0c h ASP 20 Cb -0.10 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.21 2f0c h ASP 20 CO -0.07 0.90 0.13 0.44 -1.72 0.00 0.00 179.24 178.92 2f0c h ASP 21 N 0.89 0.23 -0.49 6.45 3.32 -0.69 -1.60 116.42 124.52 2f0c h ASP 21 Ca 0.18 -0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.17 2f0c h ASP 21 Cb 0.40 -0.06 -0.02 0.00 0.22 0.00 0.00 39.33 39.87 2f0c h ASP 21 CO 0.01 0.16 0.10 -0.07 -1.72 0.00 0.00 179.24 177.73 2f0c h LEU 22 N 0.27 0.76 -0.86 1.55 3.38 -0.75 -2.11 115.31 117.55 2f0c h LEU 22 Ca 0.08 -0.24 -0.09 0.00 0.09 0.00 0.00 57.88 57.71 2f0c h LEU 22 Cb -0.03 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.50 2f0c h LEU 22 CO -0.02 0.81 -0.09 -0.33 0.09 0.00 0.00 178.44 178.90 2f0c h GLU 23 N 0.68 0.76 -0.30 1.13 5.08 -0.89 -0.92 114.58 120.13 2f0c h GLU 23 Ca 0.15 -0.24 -0.11 0.00 -1.00 0.00 0.00 59.36 58.16 2f0c h GLU 23 Cb 0.36 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 2f0c h GLU 23 CO 0.00 0.83 -0.29 0.00 -1.00 0.00 0.00 179.01 178.55 2f0c h ALA 24 N 1.21 0.94 -0.27 3.43 0.00 -1.14 0.09 119.26 123.52 2f0c h ALA 24 Ca 0.12 -0.39 -0.01 0.00 0.00 0.00 0.00 54.91 54.64 2f0c h ALA 24 Cb 0.55 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 2f0c h ALA 24 CO 0.03 0.61 0.13 0.82 0.00 0.00 0.00 179.25 180.84 2f0c h ILE 25 N 0.52 1.15 -0.75 0.00 2.04 -1.14 -2.58 117.51 116.76 2f0c h ILE 25 Ca 0.07 -0.44 0.00 0.00 1.00 0.00 0.00 64.86 65.49 2f0c h ILE 25 Cb 0.77 0.95 -0.04 0.00 -0.74 0.00 0.00 36.82 37.76 2f0c h ILE 25 CO 0.06 0.15 0.48 -1.13 0.00 0.00 0.00 178.15 177.71 2f0c h ASN 26 N 0.30 0.88 -0.75 1.72 -1.24 -0.69 -1.90 115.58 113.89 2f0c h ASN 26 Ca 0.09 -0.04 0.01 0.00 0.71 0.00 0.00 56.30 57.08 2f0c h ASN 26 Cb 0.13 -0.22 -0.04 0.00 0.73 0.00 0.00 38.32 38.92 2f0c h ASN 26 CO -0.01 0.66 0.50 -1.28 -1.29 0.00 0.00 177.43 176.01 2f0c h SER 27 N 1.03 0.86 -0.28 1.15 0.87 -0.79 -1.94 113.55 114.46 2f0c h SER 27 Ca 0.27 -0.02 -0.04 0.00 -1.23 0.00 0.00 61.79 60.77 2f0c h SER 27 Cb -0.08 -0.21 -0.02 0.00 -0.44 0.00 0.00 62.40 61.65 2f0c h SER 27 CO -0.06 0.62 0.04 -0.33 -0.53 0.00 0.00 176.83 176.58 2f0c h GLU 28 N 1.01 0.56 0.00 2.24 5.08 -0.97 -0.84 114.58 121.67 2f0c h GLU 28 Ca 0.28 -0.11 0.00 0.00 -1.00 0.00 0.00 59.36 58.53 2f0c h GLU 28 Cb -0.11 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.06 2f0c h GLU 28 CO -0.06 0.55 0.00 -0.07 -1.00 0.00 0.00 179.01 178.43 2f0c h LEU 29 N 0.54 0.00 0.00 1.33 3.38 -0.69 -3.29 115.31 116.58 2f0c h LEU 29 Ca 0.12 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.97 2f0c h LEU 29 Cb 0.28 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 2f0c h LEU 29 CO 0.00 0.00 -1.80 0.35 0.09 0.00 0.00 178.44 177.09 2f0c n THR 30 N -2.43 0.46 -3.46 0.22 -2.24 -0.91 -5.00 114.28 100.92 2f0c n THR 30 Ca 0.04 -0.45 -0.14 0.00 -2.27 0.00 0.00 64.05 61.22 2f0c n THR 30 Cb 0.35 -0.24 -0.04 0.00 -2.10 0.00 0.00 70.33 68.31 2f0c n THR 30 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2f0c s SER 31 N -4.17 -0.60 0.45 3.42 1.04 -0.36 -4.93 113.70 108.54 2f0c s SER 31 Ca -0.06 0.28 0.00 0.00 0.48 0.00 0.00 55.95 56.65 2f0c s SER 31 Cb 0.07 0.57 0.00 0.00 0.10 0.00 0.00 66.02 66.75 2f0c s SER 31 CO 0.58 -0.81 0.00 0.61 0.98 0.00 0.00 173.24 174.60 2f0c n GLY 32 N 0.14 0.17 7.00 7.32 0.00 -1.26 -4.00 105.19 114.56 2f0c n GLY 32 Ca -0.17 -0.91 0.00 0.00 0.00 0.00 0.00 46.02 44.94 2f0c n GLY 32 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2f0c n GLY 33 N 0.00 1.02 1.31 -0.02 0.00 -1.26 -3.15 105.19 103.09 2f0c n GLY 33 Ca 0.00 -0.61 0.00 0.00 0.00 0.00 0.00 46.02 45.41 2f0c n GLY 33 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2f0c n ASN 34 N -3.05 3.77 -4.72 1.61 5.15 -1.26 -4.97 115.26 111.78 2f0c n ASN 34 Ca 0.00 -3.30 -0.35 0.00 -0.60 0.00 0.00 54.58 50.33 2f0c n ASN 34 Cb 0.00 -0.63 -0.09 0.00 -0.53 0.00 0.00 39.78 38.53 2f0c n ASN 34 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 2f0c s VAL 35 N -3.01 4.68 0.02 3.44 1.01 -1.19 -5.09 120.40 120.27 2f0c s VAL 35 Ca 0.47 -0.10 -0.25 0.00 0.00 0.00 0.00 61.98 62.10 2f0c s VAL 35 Cb 0.39 -3.02 -0.05 0.00 0.00 0.00 0.00 36.38 33.71 2f0c s VAL 35 CO 0.08 0.58 0.78 -0.69 0.00 0.00 0.00 175.10 175.85 2f0c s VAL 36 N -0.66 4.79 0.35 2.92 1.01 -1.26 -4.66 120.40 122.88 2f0c s VAL 36 Ca 0.11 1.66 0.08 0.00 0.00 0.00 0.00 61.98 63.84 2f0c s VAL 36 Cb -0.12 -4.13 -0.05 0.00 0.00 0.00 0.00 36.38 32.08 2f0c s VAL 36 CO 0.02 0.32 0.11 -1.00 0.00 0.00 0.00 175.10 174.55 2f0c s HIS 37 N 0.20 2.65 -2.11 5.22 3.76 -1.26 -5.03 115.29 118.72 2f0c s HIS 37 Ca 0.40 -0.43 0.15 0.00 -0.15 0.00 0.00 55.06 55.03 2f0c s HIS 37 Cb -0.20 -1.64 0.59 0.00 1.11 0.00 0.00 32.58 32.44 2f0c s HIS 37 CO 0.23 0.36 1.42 1.63 -0.85 0.00 0.00 174.74 177.53 2f0c n LYS 38 N -1.10 1.52 -4.19 1.40 5.02 -1.26 -4.80 118.16 114.74 2f0c n LYS 38 Ca -0.03 -0.79 -0.12 0.00 -2.02 0.00 0.00 58.31 55.35 2f0c n LYS 38 Cb 0.62 -1.29 -0.10 0.00 -0.02 0.00 0.00 35.03 34.24 2f0c n LYS 38 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 2f0c s THR 39 N -1.78 0.22 0.00 -0.18 -4.23 -1.26 -5.16 115.64 103.25 2f0c s THR 39 Ca 0.25 -1.95 0.00 0.00 -1.18 0.00 0.00 61.69 58.81 2f0c s THR 39 Cb 0.13 -2.22 0.00 0.00 1.34 0.00 0.00 72.50 71.75 2f0c s THR 39 CO 0.19 -0.31 0.00 0.61 -0.54 0.00 0.00 174.62 174.56 2f0c n GLY 40 N -0.20 -0.91 3.69 3.99 0.00 -1.26 -4.90 105.19 105.61 2f0c n GLY 40 Ca -0.03 -1.46 -0.42 0.00 0.00 0.00 0.00 46.02 44.10 2f0c n GLY 40 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2f0c s ASP 41 N -1.85 7.14 0.02 1.61 1.01 -1.26 -4.98 116.67 118.36 2f0c s ASP 41 Ca 0.00 1.70 0.01 0.00 0.71 0.00 0.00 52.55 54.97 2f0c s ASP 41 Cb 0.00 -2.56 -0.02 0.00 1.01 0.00 0.00 42.92 41.36 2f0c s ASP 41 CO 0.00 -0.52 -0.04 -1.61 0.21 0.00 0.00 175.17 173.21 2f0c s GLU 42 N 2.06 0.33 -0.17 8.23 2.02 -1.26 -5.10 118.70 124.81 2f0c s GLU 42 Ca 0.53 -0.50 -0.06 0.00 0.02 0.00 0.00 54.97 54.96 2f0c s GLU 42 Cb -0.22 -0.07 -0.03 0.00 0.10 0.00 0.00 34.13 33.91 2f0c s GLU 42 CO 0.21 0.00 0.01 0.99 0.02 0.00 0.00 175.26 176.49 2f0c s THR 43 N -1.06 4.37 -0.18 3.63 2.01 -1.26 -5.09 115.64 118.06 2f0c s THR 43 Ca -0.10 -0.19 -0.00 0.00 0.31 0.00 0.00 61.69 61.71 2f0c s THR 43 Cb -0.08 -2.94 0.04 0.00 0.01 0.00 0.00 72.50 69.54 2f0c s THR 43 CO -0.00 0.48 -0.06 -0.63 -0.69 0.00 0.00 174.62 173.71 2f0c s ILE 44 N 0.34 1.27 0.34 1.82 1.01 -1.26 -5.10 121.20 119.61 2f0c s ILE 44 Ca -0.00 -0.77 0.03 0.00 0.00 0.00 0.00 60.65 59.91 2f0c s ILE 44 Cb -0.13 -1.43 -0.02 0.00 0.01 0.00 0.00 42.46 40.89 2f0c s ILE 44 CO 0.01 0.12 0.50 0.00 0.00 0.00 0.00 174.94 175.58 2f0c s ALA 45 N 1.56 3.90 0.00 9.38 0.00 -1.26 -5.04 121.76 130.30 2f0c s ALA 45 Ca -0.00 -1.16 0.00 0.00 0.00 0.00 0.00 51.96 50.80 2f0c s ALA 45 Cb -0.16 -1.91 0.00 0.00 0.00 0.00 0.00 23.12 21.05 2f0c s ALA 45 CO -0.08 -0.03 0.00 0.41 0.00 0.00 0.00 175.76 176.07 2f0c n GLY 46 N -1.71 2.38 3.65 0.00 0.00 -1.26 -4.93 105.19 103.32 2f0c n GLY 46 Ca -0.04 -1.84 -0.43 0.00 0.00 0.00 0.00 46.02 43.71 2f0c n GLY 46 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2f0c s LYS 47 N -3.40 4.14 -0.23 1.61 2.20 -1.26 -5.00 119.74 117.79 2f0c s LYS 47 Ca 0.00 1.31 -0.06 0.00 -0.36 0.00 0.00 55.97 56.86 2f0c s LYS 47 Cb 0.00 -3.73 -0.02 0.00 -1.51 0.00 0.00 37.83 32.57 2f0c s LYS 47 CO 0.00 -0.81 0.02 0.15 -0.36 0.00 0.00 175.35 174.35 2f0c s LYS 48 N 3.56 3.53 -0.30 4.03 -0.14 -1.26 -5.07 119.74 124.09 2f0c s LYS 48 Ca 0.48 -0.54 -0.06 0.00 -1.36 0.00 0.00 55.97 54.49 2f0c s LYS 48 Cb -0.16 -3.18 0.02 0.00 -1.68 0.00 0.00 37.83 32.83 2f0c s LYS 48 CO 0.13 -0.18 0.08 0.99 -0.76 0.00 0.00 175.35 175.61 2f0c s THR 49 N 1.53 3.86 -0.41 2.17 2.01 -1.26 -5.07 115.64 118.47 2f0c s THR 49 Ca 0.06 -0.80 -0.21 0.00 0.31 0.00 0.00 61.69 61.05 2f0c s THR 49 Cb -0.15 -3.03 0.02 0.00 0.01 0.00 0.00 72.50 69.35 2f0c s THR 49 CO 0.01 0.03 0.66 -0.36 -0.69 0.00 0.00 174.62 174.27 2f0c s PHE 50 N 1.47 3.09 -0.54 4.92 0.40 -1.26 -4.94 117.98 121.11 2f0c s PHE 50 Ca 0.02 0.12 0.24 0.00 -0.60 0.00 0.00 56.93 56.70 2f0c s PHE 50 Cb -0.18 -3.31 0.40 0.00 0.51 0.00 0.00 43.02 40.44 2f0c s PHE 50 CO 0.02 -0.80 1.45 1.79 0.70 0.00 0.00 175.22 178.38 2f0c h THR 51 N 5.82 0.00 -1.37 0.64 1.35 -2.07 -3.46 112.91 113.82 2f0c h THR 51 Ca -0.26 -0.70 0.00 0.00 -0.55 0.00 0.00 66.41 64.91 2f0c h THR 51 Cb 1.10 1.46 0.00 0.00 -1.73 0.00 0.00 68.15 68.98 2f0c h THR 51 CO 0.88 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.76 2f0c n GLY 52 N 1.25 1.75 3.88 5.82 0.00 -1.26 -5.11 105.19 111.52 2f0c n GLY 52 Ca 0.03 -1.89 -0.33 0.00 0.00 0.00 0.00 46.02 43.83 2f0c n GLY 52 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2f0c s ASN 53 N -1.00 6.57 -0.03 1.61 0.01 -1.26 -5.10 114.94 115.74 2f0c s ASN 53 Ca 0.00 0.72 0.05 0.00 -0.71 0.00 0.00 52.86 52.92 2f0c s ASN 53 Cb 0.00 -2.14 -0.01 0.00 0.41 0.00 0.00 41.25 39.51 2f0c s ASN 53 CO 0.00 0.09 -0.19 -0.69 -1.51 0.00 0.00 177.10 174.80 2f0c s VAL 54 N -1.56 1.54 -0.04 1.60 1.01 -1.26 -5.13 120.40 116.55 2f0c s VAL 54 Ca 0.38 -0.81 0.05 0.00 0.00 0.00 0.00 61.98 61.60 2f0c s VAL 54 Cb -0.13 -1.30 -0.01 0.00 0.00 0.00 0.00 36.38 34.95 2f0c s VAL 54 CO 0.21 0.44 -0.19 -0.70 0.00 0.00 0.00 175.10 174.86 2f0c s GLU 55 N -0.25 1.90 -0.14 2.72 2.12 -1.26 -5.13 118.70 118.66 2f0c s GLU 55 Ca 0.02 -0.66 0.02 0.00 0.36 0.00 0.00 54.97 54.71 2f0c s GLU 55 Cb -0.09 -1.65 0.01 0.00 0.26 0.00 0.00 34.13 32.65 2f0c s GLU 55 CO 0.01 0.28 -0.20 0.08 -0.54 0.00 0.00 175.26 174.88 2f0c s VAL 56 N -0.03 2.22 -0.12 3.70 1.01 -1.26 -5.01 120.40 120.91 2f0c s VAL 56 Ca -0.03 -0.92 0.21 0.00 0.00 0.00 0.00 61.98 61.24 2f0c s VAL 56 Cb -0.12 -1.90 -0.20 0.00 0.00 0.00 0.00 36.38 34.16 2f0c s VAL 56 CO 0.02 0.54 0.67 0.59 0.00 0.00 0.00 175.10 176.92 2f0c n ASN 57 N 4.05 0.38 -0.84 3.32 3.02 -1.26 -4.93 115.26 119.00 2f0c n ASN 57 Ca -0.20 0.15 0.00 0.00 -0.03 0.00 0.00 54.58 54.50 2f0c n ASN 57 Cb 0.52 1.20 0.00 0.00 -0.61 0.00 0.00 39.78 40.89 2f0c n ASN 57 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2f0c n GLY 58 N 1.29 1.54 3.84 7.41 0.00 -1.26 -5.09 105.19 112.91 2f0c n GLY 58 Ca -0.06 -1.81 -0.32 0.00 0.00 0.00 0.00 46.02 43.83 2f0c n GLY 58 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2f0c s SER 59 N -1.00 6.81 -0.21 1.61 1.04 -1.26 -5.07 113.70 115.62 2f0c s SER 59 Ca 0.00 1.46 -0.04 0.00 0.48 0.00 0.00 55.95 57.85 2f0c s SER 59 Cb 0.00 -2.45 -0.01 0.00 0.10 0.00 0.00 66.02 63.66 2f0c s SER 59 CO 0.00 -0.31 -0.04 -0.22 0.98 0.00 0.00 173.24 173.65 2f0c s LEU 60 N -3.22 2.95 -0.14 2.42 2.96 -1.26 -5.08 118.68 117.31 2f0c s LEU 60 Ca 0.58 -0.36 0.01 0.00 -0.22 0.00 0.00 54.13 54.14 2f0c s LEU 60 Cb -0.10 -1.75 -0.00 0.00 0.50 0.00 0.00 46.19 44.84 2f0c s LEU 60 CO 0.18 -0.00 -0.18 -0.89 -1.32 0.00 0.00 176.35 174.14 2f0c s THR 61 N 1.37 2.47 0.40 3.68 2.01 -1.26 -5.13 115.64 119.19 2f0c s THR 61 Ca 0.04 -0.85 0.08 0.00 0.31 0.00 0.00 61.69 61.27 2f0c s THR 61 Cb -0.14 -2.01 -0.05 0.00 0.01 0.00 0.00 72.50 70.30 2f0c s THR 61 CO -0.02 0.53 0.18 -0.76 -0.69 0.00 0.00 174.62 173.87 2f0c s LEU 62 N 0.65 3.15 0.30 4.42 1.43 -1.26 -5.08 118.68 122.29 2f0c s LEU 62 Ca -0.09 -1.01 -0.30 0.00 -1.03 0.00 0.00 54.13 51.70 2f0c s LEU 62 Cb -0.16 -1.52 -0.12 0.00 0.03 0.00 0.00 46.19 44.43 2f0c s LEU 62 CO 0.02 -0.51 1.59 -2.65 0.23 0.00 0.00 176.35 175.03 2f0c n PRO 63 N -1.24 2.68 -4.41 1.29 -0.02 -1.26 -4.62 135.00 127.42 2f0c n PRO 63 Ca -0.01 0.95 -0.20 0.00 -2.02 0.00 0.00 63.50 62.22 2f0c n PRO 63 Cb 0.64 -2.73 -0.15 0.00 -0.02 0.00 0.00 33.50 31.23 2f0c n PRO 63 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 2f0c s THR 64 N -0.06 0.80 -0.07 3.45 2.01 -1.26 -1.01 115.64 119.50 2f0c s THR 64 Ca 0.64 -0.40 -0.12 0.00 0.31 0.00 0.00 61.69 62.12 2f0c s THR 64 Cb -0.50 -0.69 0.03 0.00 0.01 0.00 0.00 72.50 71.35 2f0c s THR 64 CO 0.49 0.24 0.30 -0.75 -0.69 0.00 0.00 174.62 174.21 2f0c s LYS 65 N -0.00 0.49 0.17 4.92 2.20 -0.79 -4.98 119.74 121.75 2f0c s LYS 65 Ca 0.00 0.15 0.11 0.00 -0.36 0.00 0.00 55.97 55.87 2f0c s LYS 65 Cb -0.06 0.22 -0.04 0.00 -1.51 0.00 0.00 37.83 36.44 2f0c s LYS 65 CO 0.00 -0.10 -0.22 -1.12 -0.36 0.00 0.00 175.35 173.55 2f0c s SER 66 N -0.49 3.56 -0.16 1.43 0.01 -1.26 -0.32 113.70 116.48 2f0c s SER 66 Ca -0.06 -0.78 -0.17 0.00 1.31 0.00 0.00 55.95 56.24 2f0c s SER 66 Cb -0.04 -0.34 0.05 0.00 0.21 0.00 0.00 66.02 65.90 2f0c s SER 66 CO 0.02 0.13 0.48 0.86 0.41 0.00 0.00 173.24 175.14 2f0c s TRP 67 N -1.52 -0.50 0.01 2.43 -0.00 -0.53 -5.00 118.94 113.82 2f0c s TRP 67 Ca 0.20 1.18 0.01 0.00 -0.00 0.00 0.00 56.10 57.48 2f0c s TRP 67 Cb -0.09 0.19 -0.01 0.00 -0.00 0.00 0.00 33.47 33.56 2f0c s TRP 67 CO 0.10 -0.29 -0.03 0.45 -0.00 0.00 0.00 176.95 177.18 2f0c s SER 68 N 0.00 0.32 0.07 5.86 0.15 -1.26 -0.07 113.70 118.77 2f0c s SER 68 Ca -0.02 -0.20 -0.26 0.00 0.70 0.00 0.00 55.95 56.17 2f0c s SER 68 Cb -0.03 0.01 0.08 0.00 -1.71 0.00 0.00 66.02 64.37 2f0c s SER 68 CO 0.02 -0.07 0.71 -0.83 1.20 0.00 0.00 173.24 174.26 2f0c s GLY 69 N -0.55 -0.56 -0.53 9.45 0.00 -0.86 -5.00 107.32 109.28 2f0c s GLY 69 Ca -0.04 0.83 -0.27 0.00 0.00 0.00 0.00 44.72 45.24 2f0c s GLY 69 CO -0.00 0.37 1.07 1.85 0.00 0.00 0.00 173.10 176.39 2f0c s GLU 70 N -3.05 3.51 0.16 2.90 2.12 -1.26 -1.05 118.70 122.02 2f0c s GLU 70 Ca -0.00 0.16 -0.13 0.00 0.36 0.00 0.00 54.97 55.36 2f0c s GLU 70 Cb -0.01 -3.99 0.05 0.00 0.26 0.00 0.00 34.13 30.44 2f0c s GLU 70 CO -0.08 -1.49 1.69 -0.07 -0.54 0.00 0.00 175.26 174.78 2f0c h LEU 71 N 11.30 0.77 0.00 2.70 3.38 -1.31 -3.01 115.31 129.15 2f0c h LEU 71 Ca -0.25 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 57.53 2f0c h LEU 71 Cb 1.06 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.61 2f0c h LEU 71 CO 1.12 0.76 0.00 0.61 0.09 0.00 0.00 178.44 181.02 2f0c n GLY 72 N -0.72 2.64 2.57 0.83 0.00 -1.24 -0.84 105.19 108.42 2f0c n GLY 72 Ca 0.02 -0.59 -0.11 0.00 0.00 0.00 0.00 46.02 45.35 2f0c n GLY 72 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2f0c n GLY 73 N -0.69 1.10 1.04 -0.02 0.00 -1.26 -1.42 105.19 103.94 2f0c n GLY 73 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.85 2f0c n GLY 73 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2f0c n GLY 74 N -0.65 0.84 3.70 -0.02 0.00 -1.26 -0.90 105.19 106.90 2f0c n GLY 74 Ca -0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.49 2f0c n GLY 74 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2f0c s ILE 75 N -2.54 4.85 -0.15 -0.61 1.01 -0.51 -1.75 121.20 121.51 2f0c s ILE 75 Ca 0.00 2.03 -0.02 0.00 0.00 0.00 0.00 60.65 62.66 2f0c s ILE 75 Cb 0.00 -4.31 -0.02 0.00 0.01 0.00 0.00 42.46 38.15 2f0c s ILE 75 CO 0.00 0.12 -0.08 -0.63 0.00 0.00 0.00 174.94 174.35 2f0c s ILE 76 N 1.27 3.41 -0.20 2.92 -1.09 -0.38 -1.05 121.20 126.09 2f0c s ILE 76 Ca 0.50 -0.52 -0.04 0.00 -2.23 0.00 0.00 60.65 58.36 2f0c s ILE 76 Cb -0.20 -2.48 -0.02 0.00 -1.58 0.00 0.00 42.46 38.19 2f0c s ILE 76 CO 0.25 0.50 -0.03 -0.22 -1.23 0.00 0.00 174.94 174.20 2f0c s LEU 77 N 0.51 3.06 -0.20 2.97 2.96 -0.22 -0.33 118.68 127.44 2f0c s LEU 77 Ca -0.06 -0.28 -0.03 0.00 -0.22 0.00 0.00 54.13 53.54 2f0c s LEU 77 Cb -0.15 -1.77 -0.01 0.00 0.50 0.00 0.00 46.19 44.76 2f0c s LEU 77 CO 0.03 0.05 -0.06 -0.44 -1.32 0.00 0.00 176.35 174.62 2f0c s SER 78 N 1.05 4.28 0.06 3.68 0.01 -0.42 -2.02 113.70 120.33 2f0c s SER 78 Ca 0.01 -0.36 0.08 0.00 1.31 0.00 0.00 55.95 56.99 2f0c s SER 78 Cb -0.15 -1.72 -0.03 0.00 0.21 0.00 0.00 66.02 64.34 2f0c s SER 78 CO 0.01 0.03 -0.21 -0.76 0.41 0.00 0.00 173.24 172.72 2f0c s LEU 79 N 1.17 2.20 -0.10 2.44 1.43 0.91 -0.95 118.68 125.77 2f0c s LEU 79 Ca 0.02 -0.57 -0.03 0.00 -1.03 0.00 0.00 54.13 52.52 2f0c s LEU 79 Cb -0.14 -0.97 0.05 0.00 0.03 0.00 0.00 46.19 45.15 2f0c s LEU 79 CO -0.01 0.14 0.15 -0.60 0.23 0.00 0.00 176.35 176.26 2f0c s ARG 80 N -1.36 0.03 -0.04 1.70 3.52 -0.27 -1.46 118.95 121.09 2f0c s ARG 80 Ca 0.08 0.44 -0.21 0.00 -0.13 0.00 0.00 55.73 55.90 2f0c s ARG 80 Cb -0.09 -0.55 -0.05 0.00 -1.56 0.00 0.00 34.95 32.70 2f0c s ARG 80 CO 0.02 -0.38 0.60 0.21 -0.81 0.00 0.00 175.30 174.95 2f0c s LYS 81 N 2.26 4.35 -0.27 5.12 2.20 0.57 -0.58 119.74 133.40 2f0c s LYS 81 Ca 0.04 0.73 0.00 0.00 -0.36 0.00 0.00 55.97 56.38 2f0c s LYS 81 Cb -0.13 -3.38 0.08 0.00 -1.51 0.00 0.00 37.83 32.89 2f0c s LYS 81 CO -0.06 0.26 0.01 0.15 -0.36 0.00 0.00 175.35 175.35 2f0c s LYS 82 N 0.18 1.26 7.90 4.03 1.02 0.38 -1.89 119.74 132.62 2f0c s LYS 82 Ca 0.32 -1.09 0.00 0.00 0.02 0.00 0.00 55.97 55.22 2f0c s LYS 82 Cb -0.18 -2.48 0.00 0.00 -0.52 0.00 0.00 37.83 34.65 2f0c s LYS 82 CO 0.16 -0.76 0.00 0.41 -0.92 0.00 0.00 175.35 174.25 2f0c n GLY 83 N 4.69 3.76 1.17 -3.33 0.00 -0.18 -2.20 105.19 109.10 2f0c n GLY 83 Ca -0.07 -0.02 0.08 0.00 0.00 0.00 0.00 46.02 46.02 2f0c n GLY 83 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2f0c n THR 84 N 0.00 1.66 -4.71 2.61 -2.24 -1.26 -4.91 114.28 105.43 2f0c n THR 84 Ca 0.00 -1.28 -0.33 0.00 -2.27 0.00 0.00 64.05 60.17 2f0c n THR 84 Cb 0.00 0.17 -0.12 0.00 -2.10 0.00 0.00 70.33 68.27 2f0c n THR 84 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 2f0c s THR 85 N -1.78 3.42 -0.21 4.28 2.01 -0.94 -0.74 115.64 121.69 2f0c s THR 85 Ca 0.42 -0.57 -0.05 0.00 0.31 0.00 0.00 61.69 61.80 2f0c s THR 85 Cb 0.27 -2.40 -0.02 0.00 0.01 0.00 0.00 72.50 70.36 2f0c s THR 85 CO 0.19 0.57 -0.00 -0.69 -0.69 0.00 0.00 174.62 174.00 2f0c s VAL 86 N -0.45 3.89 -0.00 3.82 1.01 0.30 -0.47 120.40 128.49 2f0c s VAL 86 Ca 0.06 -0.33 -0.27 0.00 0.00 0.00 0.00 61.98 61.44 2f0c s VAL 86 Cb -0.12 -2.76 -0.04 0.00 0.00 0.00 0.00 36.38 33.46 2f0c s VAL 86 CO 0.02 0.42 0.86 -1.61 0.00 0.00 0.00 175.10 174.80 2f0c s GLU 87 N 1.11 4.53 0.15 2.72 2.02 0.25 -1.35 118.70 128.13 2f0c s GLU 87 Ca 0.02 1.21 0.10 0.00 0.02 0.00 0.00 54.97 56.32 2f0c s GLU 87 Cb -0.14 -3.43 -0.04 0.00 0.10 0.00 0.00 34.13 30.61 2f0c s GLU 87 CO 0.01 0.06 -0.22 1.52 0.02 0.00 0.00 175.26 176.66 2f0c s TYR 88 N 0.69 2.01 -0.10 1.61 1.13 0.08 -1.11 117.35 121.66 2f0c s TYR 88 Ca 0.45 -0.41 -0.03 0.00 -1.41 0.00 0.00 57.07 55.66 2f0c s TYR 88 Cb -0.20 -1.04 0.05 0.00 -1.10 0.00 0.00 41.96 39.67 2f0c s TYR 88 CO 0.25 0.34 0.15 0.45 -2.51 0.00 0.00 175.55 174.23 2f0c s SER 89 N -2.38 1.00 -0.02 -0.18 0.15 -0.13 -1.83 113.70 110.31 2f0c s SER 89 Ca 0.14 0.16 -0.24 0.00 0.70 0.00 0.00 55.95 56.71 2f0c s SER 89 Cb -0.08 0.20 -0.04 0.00 -1.71 0.00 0.00 66.02 64.39 2f0c s SER 89 CO 0.07 -0.26 0.74 -0.63 1.20 0.00 0.00 173.24 174.35 2f0c s ILE 90 N 2.27 4.92 0.00 6.45 1.01 0.58 -1.30 121.20 135.13 2f0c s ILE 90 Ca 0.04 1.55 0.00 0.00 0.00 0.00 0.00 60.65 62.23 2f0c s ILE 90 Cb -0.13 -4.08 0.00 0.00 0.01 0.00 0.00 42.46 38.26 2f0c s ILE 90 CO -0.06 0.29 0.00 0.61 0.00 0.00 0.00 174.94 175.78 2f0c n GLY 91 N 2.81 4.28 3.88 6.18 0.00 0.55 -3.36 105.19 119.54 2f0c n GLY 91 Ca -0.01 -1.18 0.00 0.00 0.00 0.00 0.00 46.02 44.83 2f0c n GLY 91 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2f0c n GLY 92 N 0.00 -1.71 3.64 -0.02 0.00 -1.26 -1.24 105.19 104.60 2f0c n GLY 92 Ca 0.00 -1.63 -0.03 0.00 0.00 0.00 0.00 46.02 44.36 2f0c n GLY 92 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2f0c s GLU 93 N 0.00 0.61 0.10 1.61 2.56 -0.72 -4.29 118.70 118.57 2f0c s GLU 93 Ca 0.00 1.39 -0.31 0.00 0.00 0.00 0.00 54.97 56.05 2f0c s GLU 93 Cb 0.00 0.67 -0.09 0.00 2.00 0.00 0.00 34.13 36.71 2f0c s GLU 93 CO 0.00 -0.19 1.59 0.42 -0.56 0.00 0.00 175.26 176.52 2f0c s ILE 94 N 2.55 2.98 0.00 -3.70 1.01 -0.10 -4.30 121.20 119.64 2f0c s ILE 94 Ca -0.07 0.55 0.00 0.00 0.00 0.00 0.00 60.65 61.13 2f0c s ILE 94 Cb -0.10 -3.35 0.00 0.00 0.01 0.00 0.00 42.46 39.01 2f0c s ILE 94 CO -0.19 0.01 0.34 -1.54 0.00 0.00 0.00 174.94 173.56 2f0c n SER 95 N 4.98 0.68 -3.63 3.58 3.41 -0.08 -4.37 113.62 118.19 2f0c n SER 95 Ca 0.15 -0.93 -0.09 0.00 -0.26 0.00 0.00 58.87 57.73 2f0c n SER 95 Cb 0.40 0.09 -0.03 0.00 -0.26 0.00 0.00 64.21 64.41 2f0c n SER 95 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2f0c s SER 96 N -0.09 0.04 -0.31 4.04 1.04 -1.25 -4.98 113.70 112.19 2f0c s SER 96 Ca 0.00 -0.98 -0.28 0.00 0.48 0.00 0.00 55.95 55.17 2f0c s SER 96 Cb 0.00 0.69 -0.03 0.00 0.10 0.00 0.00 66.02 66.78 2f0c s SER 96 CO 0.00 -1.33 1.92 -0.44 0.98 0.00 0.00 173.24 174.37 2f0c s SER 97 N -3.04 5.73 -0.41 7.02 0.01 -1.26 -4.39 113.70 117.36 2f0c s SER 97 Ca 0.19 1.42 -0.17 0.00 1.31 0.00 0.00 55.95 58.70 2f0c s SER 97 Cb -0.03 -2.52 0.02 0.00 0.21 0.00 0.00 66.02 63.70 2f0c s SER 97 CO 0.11 -1.82 0.45 -0.63 0.41 0.00 0.00 173.24 171.75 2f0c s ILE 98 N 7.44 5.07 0.49 1.44 1.01 0.52 -4.97 121.20 132.21 2f0c s ILE 98 Ca 0.85 -0.26 -0.19 0.00 0.00 0.00 0.00 60.65 61.05 2f0c s ILE 98 Cb -0.25 -4.03 -0.09 0.00 0.01 0.00 0.00 42.46 38.11 2f0c s ILE 98 CO 0.33 -0.40 1.01 -0.76 0.00 0.00 0.00 174.94 175.12 2f0c s LEU 99 N 2.19 3.80 0.27 2.97 1.43 -1.26 -0.94 118.68 127.13 2f0c s LEU 99 Ca 0.13 1.80 -0.30 0.00 -1.03 0.00 0.00 54.13 54.73 2f0c s LEU 99 Cb -0.17 -4.54 -0.13 0.00 0.03 0.00 0.00 46.19 41.37 2f0c s LEU 99 CO 0.14 -0.68 1.31 0.00 0.23 0.00 0.00 176.35 177.35 2f0c n ALA 100 N -1.08 0.84 -3.59 4.21 0.00 -1.26 -3.12 120.51 116.51 2f0c n ALA 100 Ca 0.08 0.40 -0.22 0.00 0.00 0.00 0.00 53.44 53.71 2f0c n ALA 100 Cb 0.53 -2.22 0.07 0.00 0.00 0.00 0.00 19.45 17.83 2f0c n ALA 100 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2f0c n ASN 101 N 1.68 -3.68 -4.58 0.00 3.02 -0.55 -4.89 115.26 106.25 2f0c n ASN 101 Ca 0.10 -0.65 -0.30 0.00 -0.03 0.00 0.00 54.58 53.71 2f0c n ASN 101 Cb 0.32 -4.77 -0.10 0.00 -0.61 0.00 0.00 39.78 34.62 2f0c n ASN 101 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 2f0c s SER 102 N -3.89 4.40 0.29 6.41 1.04 -0.64 -4.89 113.70 116.42 2f0c s SER 102 Ca 0.28 -0.38 -0.29 0.00 0.48 0.00 0.00 55.95 56.03 2f0c s SER 102 Cb -0.13 -0.84 -0.10 0.00 0.10 0.00 0.00 66.02 65.05 2f0c s SER 102 CO 0.76 0.18 1.29 0.20 0.98 0.00 0.00 173.24 176.64 2f0c s ASN 103 N -2.19 6.86 -0.41 7.02 0.01 -1.26 -0.66 114.94 124.31 2f0c s ASN 103 Ca 0.21 2.57 -0.16 0.00 -0.71 0.00 0.00 52.86 54.77 2f0c s ASN 103 Cb -0.11 -2.64 0.02 0.00 0.41 0.00 0.00 41.25 38.93 2f0c s ASN 103 CO 0.14 -0.48 0.34 -0.76 -1.51 0.00 0.00 177.10 174.82 2f0c s LEU 104 N -1.30 4.97 0.00 0.60 1.43 0.24 -4.90 118.68 119.72 2f0c s LEU 104 Ca 0.50 -0.77 0.08 0.00 -1.03 0.00 0.00 54.13 52.91 2f0c s LEU 104 Cb -0.38 -2.24 0.15 0.00 0.03 0.00 0.00 46.19 43.75 2f0c s LEU 104 CO 0.47 -0.47 1.00 1.33 0.23 0.00 0.00 176.35 178.91 2f0c n VAL 105 N 5.25 0.59 -0.04 -1.59 0.24 -1.13 -4.24 118.33 117.41 2f0c n VAL 105 Ca -0.10 -0.79 -0.14 0.00 -2.04 0.00 0.00 64.34 61.27 2f0c n VAL 105 Cb 0.47 0.77 -0.09 0.00 -1.47 0.00 0.00 33.84 33.53 2f0c n VAL 105 CO 0.00 0.00 0.00 -1.13 -2.14 0.00 0.00 176.83 173.56 2f0c h ASN 106 N 1.46 0.24 -3.61 -1.34 -0.73 -1.23 -3.46 115.58 106.91 2f0c h ASN 106 Ca 0.00 -0.56 -0.21 0.00 1.87 0.00 0.00 56.30 57.41 2f0c h ASN 106 Cb 0.52 -0.07 -0.29 0.00 0.27 0.00 0.00 38.32 38.76 2f0c h ASN 106 CO 0.00 0.76 -0.54 -0.13 -0.37 0.00 0.00 177.43 177.15 2f0c s ARG 107 N -3.99 0.16 0.33 6.67 1.81 -0.97 -4.98 118.95 117.99 2f0c s ARG 107 Ca -0.15 0.32 -0.11 0.00 -1.72 0.00 0.00 55.73 54.07 2f0c s ARG 107 Cb 0.03 -0.02 -0.07 0.00 -0.45 0.00 0.00 34.95 34.44 2f0c s ARG 107 CO 0.73 -0.09 0.69 -1.12 -0.68 0.00 0.00 175.30 174.83 2f0c s SER 108 N 0.60 6.59 0.12 0.23 0.01 -1.26 -4.44 113.70 115.55 2f0c s SER 108 Ca -0.04 1.07 -0.31 0.00 1.31 0.00 0.00 55.95 57.97 2f0c s SER 108 Cb -0.06 -2.29 -0.08 0.00 0.21 0.00 0.00 66.02 63.80 2f0c s SER 108 CO -0.03 -0.26 1.40 -0.69 0.41 0.00 0.00 173.24 174.07 2f0c s VAL 109 N -2.13 3.25 0.64 3.43 1.01 0.15 -4.97 120.40 121.77 2f0c s VAL 109 Ca 0.50 0.90 -0.18 0.00 0.00 0.00 0.00 61.98 63.20 2f0c s VAL 109 Cb -0.10 -3.58 -0.02 0.00 0.00 0.00 0.00 36.38 32.68 2f0c s VAL 109 CO 0.26 0.07 1.31 -2.84 0.00 0.00 0.00 175.10 173.90 2f0c s PRO 110 N 1.04 2.61 0.33 2.72 0.02 -1.26 -4.48 135.00 135.98 2f0c s PRO 110 Ca 0.65 2.10 0.11 0.00 0.02 0.00 0.00 61.00 63.87 2f0c s PRO 110 Cb -0.37 -1.89 0.93 0.00 0.02 0.00 0.00 34.50 33.18 2f0c s PRO 110 CO 0.31 -1.56 1.73 -0.97 -0.33 0.00 0.00 177.00 176.17 2f0c h ASN 111 N 0.65 0.64 0.08 2.53 -1.24 -1.93 -0.11 115.58 116.20 2f0c h ASN 111 Ca -0.51 0.14 -0.00 0.00 0.71 0.00 0.00 56.30 56.63 2f0c h ASN 111 Cb 1.33 0.04 -0.00 0.00 0.73 0.00 0.00 38.32 40.42 2f0c h ASN 111 CO 0.54 0.08 -0.01 -0.08 -1.29 0.00 0.00 177.43 176.66 2f0c h GLU 112 N 0.54 0.00 -0.02 6.67 4.81 -1.99 -1.58 114.58 123.01 2f0c h GLU 112 Ca 0.65 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.88 2f0c h GLU 112 Cb 1.30 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.68 2f0c h GLU 112 CO -0.47 0.01 -0.01 1.19 -0.73 0.00 0.00 179.01 179.00 2f0c n PHE 113 N -3.51 0.00 -2.75 0.92 3.72 -0.07 -4.98 117.46 110.80 2f0c n PHE 113 Ca -0.03 0.00 -0.41 0.00 -0.05 0.00 0.00 57.45 56.96 2f0c n PHE 113 Cb 0.10 0.00 -0.04 0.00 -0.94 0.00 0.00 39.48 38.60 2f0c n PHE 113 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2f0c s PRO 115 N 0.21 3.78 0.25 0.00 0.04 -1.26 -4.89 135.00 133.12 2f0c s PRO 115 Ca 0.47 0.88 -0.04 0.00 0.04 0.00 0.00 61.00 62.36 2f0c s PRO 115 Cb -0.23 -2.11 0.28 0.00 0.04 0.00 0.00 34.50 32.49 2f0c s PRO 115 CO 0.29 -0.42 1.76 -0.09 0.04 0.00 0.00 177.00 178.58 2f0c h ARG 116 N 0.39 0.91 -5.47 4.56 2.43 -1.42 -3.31 114.38 112.46 2f0c h ARG 116 Ca -0.46 -0.22 -0.67 0.00 -0.81 0.00 0.00 59.98 57.82 2f0c h ARG 116 Cb 1.19 -0.12 -0.30 0.00 -0.42 0.00 0.00 29.97 30.32 2f0c h ARG 116 CO 0.61 0.85 -0.84 -0.80 -1.51 0.00 0.00 179.97 178.29 2f0c s ASN 117 N -6.57 3.45 0.01 -3.80 0.01 -1.26 -4.77 114.94 102.00 2f0c s ASN 117 Ca -0.10 -0.46 -0.37 0.00 -0.71 0.00 0.00 52.86 51.22 2f0c s ASN 117 Cb 0.15 -1.37 -0.16 0.00 0.41 0.00 0.00 41.25 40.27 2f0c s ASN 117 CO 0.82 0.18 1.44 -1.14 -1.51 0.00 0.00 177.10 176.90 2f0c n ARG 118 N 3.38 1.19 -4.53 -0.60 0.63 -1.26 -4.84 116.66 110.64 2f0c n ARG 118 Ca -0.18 0.43 -0.31 0.00 -0.92 0.00 0.00 57.85 56.87 2f0c n ARG 118 Cb 0.53 -2.09 -0.11 0.00 0.45 0.00 0.00 32.46 31.23 2f0c n ARG 118 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2f0c s SER 120 N -1.52 4.49 -0.37 0.00 0.01 -1.26 -1.20 113.70 113.86 2f0c s SER 120 Ca 0.16 -0.75 -0.11 0.00 1.31 0.00 0.00 55.95 56.56 2f0c s SER 120 Cb -0.11 -1.73 0.03 0.00 0.21 0.00 0.00 66.02 64.42 2f0c s SER 120 CO 0.07 -0.12 0.20 -0.76 0.41 0.00 0.00 173.24 173.04 2f0c s LEU 121 N 1.39 4.66 0.05 2.44 1.43 0.40 -4.91 118.68 124.14 2f0c s LEU 121 Ca 0.02 -0.97 -0.28 0.00 -1.03 0.00 0.00 54.13 51.86 2f0c s LEU 121 Cb -0.16 -2.02 -0.05 0.00 0.03 0.00 0.00 46.19 43.99 2f0c s LEU 121 CO -0.03 -0.37 0.89 -0.69 0.23 0.00 0.00 176.35 176.38 2f0c s VAL 122 N 1.55 4.69 0.36 -1.59 1.01 -1.26 -1.32 120.40 123.84 2f0c s VAL 122 Ca 0.02 1.90 0.04 0.00 0.00 0.00 0.00 61.98 63.93 2f0c s VAL 122 Cb -0.19 -4.24 -0.04 0.00 0.00 0.00 0.00 36.38 31.91 2f0c s VAL 122 CO 0.06 0.29 0.13 -0.83 0.00 0.00 0.00 175.10 174.75 2f0c s GLY 123 N 0.28 2.33 0.01 4.51 0.00 -0.21 -4.74 107.32 109.51 2f0c s GLY 123 Ca 0.45 -1.56 0.01 0.00 0.00 0.00 0.00 44.72 43.62 2f0c s GLY 123 CO 0.27 -1.74 -0.04 -1.58 0.00 0.00 0.00 173.10 170.00 2f0c s HIS 124 N -3.36 0.33 -0.17 1.90 5.65 -0.10 -1.55 115.29 117.99 2f0c s HIS 124 Ca 0.30 -0.29 -0.16 0.00 0.25 0.00 0.00 55.06 55.16 2f0c s HIS 124 Cb 0.04 -0.21 -0.04 0.00 -1.18 0.00 0.00 32.58 31.19 2f0c s HIS 124 CO 0.16 -0.08 0.40 -1.64 -0.65 0.00 0.00 174.74 172.94 2f0c s MET 125 N -0.81 4.24 0.26 2.88 -1.94 -0.13 -1.14 119.30 122.66 2f0c s MET 125 Ca -0.06 0.26 -0.30 0.00 -1.71 0.00 0.00 55.69 53.87 2f0c s MET 125 Cb -0.06 -3.49 -0.14 0.00 2.01 0.00 0.00 34.83 33.16 2f0c s MET 125 CO -0.00 0.06 1.20 0.28 -0.01 0.00 0.00 175.02 176.55 2f0c n VAL 126 N 4.02 1.52 -0.18 -6.03 0.31 -0.53 -3.63 118.33 113.81 2f0c n VAL 126 Ca -0.08 -0.38 0.00 0.00 -0.01 0.00 0.00 64.34 63.87 2f0c n VAL 126 Cb 0.51 -1.21 0.00 0.00 -0.91 0.00 0.00 33.84 32.23 2f0c n VAL 126 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2f0c n GLY 127 N 1.52 0.61 0.00 2.92 0.00 -1.26 -4.76 105.19 104.21 2f0c n GLY 127 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 2f0c n GLY 127 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2f0c n GLY 128 N -2.01 3.07 1.52 -0.02 0.00 -1.24 -5.05 105.19 101.47 2f0c n GLY 128 Ca 0.00 -0.98 0.08 0.00 0.00 0.00 0.00 46.02 45.12 2f0c n GLY 128 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 2f0c n TRP 129 N 0.00 1.55 -3.22 1.61 5.03 -1.26 -4.87 117.44 116.27 2f0c n TRP 129 Ca 0.00 -0.69 -0.39 0.00 3.03 0.00 0.00 57.50 59.45 2f0c n TRP 129 Cb 0.00 -0.34 -0.06 0.00 -1.03 0.00 0.00 31.31 29.89 2f0c n TRP 129 CO 0.00 0.00 0.00 -0.80 -0.03 0.00 0.00 177.69 176.86 2f0c s ASN 130 N -1.05 6.82 0.23 -0.99 0.01 -1.26 -5.00 114.94 113.69 2f0c s ASN 130 Ca 0.49 0.98 0.10 0.00 -0.71 0.00 0.00 52.86 53.73 2f0c s ASN 130 Cb 0.35 -2.34 -0.04 0.00 0.41 0.00 0.00 41.25 39.63 2f0c s ASN 130 CO 0.18 -0.01 -0.10 0.00 -1.51 0.00 0.00 177.10 175.66 2f0c s ALA 131 N 0.52 2.93 0.33 0.60 0.00 -1.26 -0.95 121.76 123.92 2f0c s ALA 131 Ca 0.30 -1.63 0.06 0.00 0.00 0.00 0.00 51.96 50.69 2f0c s ALA 131 Cb -0.16 -0.61 -0.03 0.00 0.00 0.00 0.00 23.12 22.32 2f0c s ALA 131 CO 0.14 0.36 0.30 -0.59 0.00 0.00 0.00 175.76 175.96 2f0c s PHE 132 N -2.06 1.64 0.04 0.00 -0.12 -0.60 -4.87 117.98 112.02 2f0c s PHE 132 Ca 0.28 -1.61 -0.03 0.00 -0.05 0.00 0.00 56.93 55.52 2f0c s PHE 132 Cb -0.07 -0.63 -0.02 0.00 -0.63 0.00 0.00 43.02 41.67 2f0c s PHE 132 CO 0.16 -0.89 0.04 -3.38 -0.05 0.00 0.00 175.22 171.09 2f0c s HIS 133 N -3.43 0.29 -0.12 3.49 -3.43 -1.26 -1.05 115.29 109.79 2f0c s HIS 133 Ca 0.39 -0.65 0.02 0.00 -0.80 0.00 0.00 55.06 54.02 2f0c s HIS 133 Cb 0.02 -0.21 -0.00 0.00 -1.43 0.00 0.00 32.58 30.96 2f0c s HIS 133 CO 0.26 -0.33 -0.20 0.42 -2.00 0.00 0.00 174.74 172.89 2f0c s ILE 134 N -2.71 2.37 0.04 -5.38 1.01 -0.43 -1.01 121.20 115.07 2f0c s ILE 134 Ca -0.04 -0.90 -0.18 0.00 0.00 0.00 0.00 60.65 59.53 2f0c s ILE 134 Cb -0.01 -1.94 -0.06 0.00 0.01 0.00 0.00 42.46 40.46 2f0c s ILE 134 CO -0.05 0.54 0.51 -1.81 0.00 0.00 0.00 174.94 174.13 2f0c s ASP 135 N 0.46 6.95 -0.35 3.58 1.11 -0.16 -0.45 116.67 127.81 2f0c s ASP 135 Ca -0.14 1.13 -0.04 0.00 0.18 0.00 0.00 52.55 53.69 2f0c s ASP 135 Cb -0.17 -2.32 0.07 0.00 1.07 0.00 0.00 42.92 41.57 2f0c s ASP 135 CO 0.06 0.28 0.10 -0.63 1.18 0.00 0.00 175.17 176.15 2f0c s ILE 136 N -0.99 3.32 0.83 0.77 1.01 -0.34 -1.71 121.20 124.09 2f0c s ILE 136 Ca 0.27 -1.53 -0.10 0.00 0.00 0.00 0.00 60.65 59.28 2f0c s ILE 136 Cb -0.18 -3.02 0.13 0.00 0.01 0.00 0.00 42.46 39.40 2f0c s ILE 136 CO 0.17 -0.32 1.17 -2.16 0.00 0.00 0.00 174.94 173.79 2f0c s PRO 137 N 1.26 1.40 0.58 2.79 0.04 -1.26 -1.81 135.00 138.01 2f0c s PRO 137 Ca 0.00 -0.41 0.27 0.00 0.04 0.00 0.00 61.00 60.90 2f0c s PRO 137 Cb -0.21 -2.02 1.71 0.00 0.04 0.00 0.00 34.50 34.02 2f0c s PRO 137 CO -0.01 -1.84 2.23 0.77 0.04 0.00 0.00 177.00 178.19 2f0c h SER 138 N -1.11 0.00 1.23 6.66 0.02 -1.86 -0.98 113.55 117.51 2f0c h SER 138 Ca -0.43 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.52 2f0c h SER 138 Cb 1.27 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.81 2f0c h SER 138 CO 0.48 0.00 0.00 0.77 -1.14 0.00 0.00 176.83 176.94 2f0c h SER 139 N 0.00 0.00 0.00 3.07 4.64 -1.93 -3.44 113.55 115.89 2f0c h SER 139 Ca 0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 2f0c h SER 139 Cb 0.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.13 2f0c h SER 139 CO -0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 2f0c n GLY 140 N 0.44 1.40 3.51 -0.77 0.00 -0.37 -4.82 105.19 104.58 2f0c n GLY 140 Ca 0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 2f0c n GLY 140 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2f0c s VAL 141 N -3.78 4.15 0.68 1.61 1.01 -1.26 -0.68 120.40 122.12 2f0c s VAL 141 Ca 0.00 -0.61 -0.14 0.00 0.00 0.00 0.00 61.98 61.23 2f0c s VAL 141 Cb 0.00 -4.89 0.01 0.00 0.00 0.00 0.00 36.38 31.50 2f0c s VAL 141 CO 0.00 -1.72 1.09 0.00 0.00 0.00 0.00 175.10 174.47 2f0c s GLN 143 N -4.38 0.95 -0.26 0.00 -0.21 -0.69 -0.59 119.66 114.48 2f0c s GLN 143 Ca 0.64 -0.36 -0.17 0.00 0.02 0.00 0.00 55.36 55.48 2f0c s GLN 143 Cb -0.18 -0.90 -0.03 0.00 1.00 0.00 0.00 33.01 32.90 2f0c s GLN 143 CO 0.45 0.18 0.50 -0.46 -2.12 0.00 0.00 175.29 173.84 2f0c s TRP 144 N -0.05 3.27 -0.18 0.91 -0.11 0.16 -0.99 118.94 121.95 2f0c s TRP 144 Ca 0.01 0.61 0.16 0.00 1.22 0.00 0.00 56.10 58.10 2f0c s TRP 144 Cb -0.06 -2.70 0.51 0.00 -1.50 0.00 0.00 33.47 29.72 2f0c s TRP 144 CO 0.00 -0.27 1.41 1.19 -4.62 0.00 0.00 176.95 174.66 2f0c n PHE 145 N 5.47 0.89 -1.13 5.86 3.72 -0.18 -1.48 117.46 130.61 2f0c n PHE 145 Ca -0.05 -0.93 -0.12 0.00 -0.05 0.00 0.00 57.45 56.31 2f0c n PHE 145 Cb 0.50 -0.31 0.09 0.00 -0.94 0.00 0.00 39.48 38.81 2f0c n PHE 145 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2f0c n GLY 146 N -0.61 -1.73 3.96 1.37 0.00 -1.26 -4.55 105.19 102.38 2f0c n GLY 146 Ca 0.22 -1.61 -0.27 0.00 0.00 0.00 0.00 46.02 44.35 2f0c n GLY 146 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2f0c s PRO 147 N -4.08 0.80 0.20 1.61 0.04 -1.26 -3.16 135.00 129.16 2f0c s PRO 147 Ca 0.29 -0.83 -0.32 0.00 0.04 0.00 0.00 61.00 60.18 2f0c s PRO 147 Cb -0.01 -2.02 -0.12 0.00 0.04 0.00 0.00 34.50 32.38 2f0c s PRO 147 CO 0.21 -2.19 1.74 0.99 0.04 0.00 0.00 177.00 177.78 2f0c s THR 148 N -3.65 2.04 -0.07 1.26 2.01 -1.26 -4.08 115.64 111.89 2f0c s THR 148 Ca 0.73 0.00 -0.04 0.00 0.31 0.00 0.00 61.69 62.69 2f0c s THR 148 Cb -0.03 -3.00 0.03 0.00 0.01 0.00 0.00 72.50 69.51 2f0c s THR 148 CO 0.50 0.00 0.16 0.00 -0.69 0.00 0.00 174.62 174.60 2f0c s ALA 149 N 1.29 -0.36 0.00 7.40 0.00 -0.11 -4.88 121.76 125.10 2f0c s ALA 149 Ca 0.75 0.59 0.00 0.00 0.00 0.00 0.00 51.96 53.31 2f0c s ALA 149 Cb -0.50 -0.37 0.00 0.00 0.00 0.00 0.00 23.12 22.25 2f0c s ALA 149 CO 0.32 -0.12 0.86 -1.13 0.00 0.00 0.00 175.76 175.70 2f0c n SER 150 N 3.60 1.71 -3.66 0.00 3.41 -1.26 -0.35 113.62 117.06 2f0c n SER 150 Ca -0.19 -1.73 -0.10 0.00 -0.26 0.00 0.00 58.87 56.58 2f0c n SER 150 Cb 0.55 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.47 2f0c n SER 150 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2f0c s SER 151 N -0.73 -0.28 0.00 4.04 1.04 -1.26 -4.39 113.70 112.11 2f0c s SER 151 Ca 0.00 -0.37 0.00 0.00 0.48 0.00 0.00 55.95 56.06 2f0c s SER 151 Cb 0.00 0.54 0.00 0.00 0.10 0.00 0.00 66.02 66.66 2f0c s SER 151 CO 0.00 -0.97 0.00 0.61 0.98 0.00 0.00 173.24 173.86 2f0c n GLY 152 N -0.30 2.16 2.84 7.32 0.00 -1.26 -4.83 105.19 111.12 2f0c n GLY 152 Ca -0.13 -2.09 -0.30 0.00 0.00 0.00 0.00 46.02 43.50 2f0c n GLY 152 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2f0c s THR 153 N -1.68 1.63 0.08 2.61 2.01 -1.26 -0.93 115.64 118.10 2f0c s THR 153 Ca 0.00 -2.19 -0.24 0.00 0.31 0.00 0.00 61.69 59.57 2f0c s THR 153 Cb 0.00 -2.18 -0.06 0.00 0.01 0.00 0.00 72.50 70.26 2f0c s THR 153 CO 0.00 -0.72 0.72 -2.16 -0.69 0.00 0.00 174.62 171.76 2f0c s PRO 154 N 0.87 4.45 0.04 4.92 0.04 -1.26 -1.46 135.00 142.60 2f0c s PRO 154 Ca 0.13 1.00 -0.07 0.00 0.04 0.00 0.00 61.00 62.10 2f0c s PRO 154 Cb -0.21 -3.31 -0.01 0.00 0.04 0.00 0.00 34.50 31.02 2f0c s PRO 154 CO -0.11 0.44 0.12 1.03 0.04 0.00 0.00 177.00 178.53 2f0c s ARG 155 N -0.59 0.62 0.00 4.56 1.81 -0.30 -3.80 118.95 121.26 2f0c s ARG 155 Ca 0.35 -0.73 0.00 0.00 -1.72 0.00 0.00 55.73 53.63 2f0c s ARG 155 Cb -0.21 0.25 0.00 0.00 -0.45 0.00 0.00 34.95 34.54 2f0c s ARG 155 CO 0.23 -0.16 0.00 0.41 -0.68 0.00 0.00 175.30 175.09 2f0c n GLY 156 N 0.73 2.89 3.27 -3.53 0.00 -1.21 -0.92 105.19 106.41 2f0c n GLY 156 Ca -0.19 0.07 -0.32 0.00 0.00 0.00 0.00 46.02 45.58 2f0c n GLY 156 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2f0c s THR 157 N -0.08 2.19 0.00 2.61 2.01 -1.26 -0.31 115.64 120.80 2f0c s THR 157 Ca 0.00 -0.99 0.00 0.00 0.31 0.00 0.00 61.69 61.01 2f0c s THR 157 Cb 0.00 -1.83 0.00 0.00 0.01 0.00 0.00 72.50 70.68 2f0c s THR 157 CO 0.00 0.56 0.00 0.61 -0.69 0.00 0.00 174.62 175.10 2f0c n GLY 158 N 3.23 1.98 3.15 4.40 0.00 -0.76 -5.01 105.19 112.17 2f0c n GLY 158 Ca -0.18 -0.55 -0.09 0.00 0.00 0.00 0.00 46.02 45.20 2f0c n GLY 158 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2f0c s THR 159 N -1.90 0.41 0.04 2.61 -4.23 -1.26 -0.74 115.64 110.57 2f0c s THR 159 Ca 0.00 -1.89 -0.09 0.00 -1.18 0.00 0.00 61.69 58.53 2f0c s THR 159 Cb 0.00 -1.75 0.00 0.00 1.34 0.00 0.00 72.50 72.09 2f0c s THR 159 CO 0.00 -0.79 0.18 -0.72 -0.54 0.00 0.00 174.62 172.75 2f0c s TYR 160 N -3.82 0.08 0.26 3.99 -0.85 -0.46 -4.95 117.35 111.60 2f0c s TYR 160 Ca 0.14 -0.33 -0.14 0.00 -0.52 0.00 0.00 57.07 56.22 2f0c s TYR 160 Cb 0.07 -0.05 -0.08 0.00 0.38 0.00 0.00 41.96 42.28 2f0c s TYR 160 CO -0.04 -0.43 0.66 -1.25 -1.52 0.00 0.00 175.55 172.97 2f0c s PRO 161 N -2.67 3.99 0.14 -3.49 0.04 -1.26 -0.54 135.00 131.22 2f0c s PRO 161 Ca -0.04 0.58 0.15 0.00 0.04 0.00 0.00 61.00 61.73 2f0c s PRO 161 Cb -0.01 -2.63 -0.07 0.00 0.04 0.00 0.00 34.50 31.83 2f0c s PRO 161 CO -0.04 0.28 1.09 0.97 0.04 0.00 0.00 177.00 179.34 2f0c h ILE 162 N 2.22 0.75 -0.01 0.56 6.09 -1.28 -3.41 117.51 122.43 2f0c h ILE 162 Ca -0.48 -2.22 0.00 0.00 -1.37 0.00 0.00 64.86 60.80 2f0c h ILE 162 Cb 1.18 2.26 0.00 0.00 0.47 0.00 0.00 36.82 40.73 2f0c h ILE 162 CO 0.66 0.42 0.00 -0.90 -3.07 0.00 0.00 178.15 175.27